Vitas-M small molecule compound

2,2'-(benzene-1,4-diylbis{[(1E)-3-oxoprop-1-ene-1,3-diyl]benzene-3,1-diyl})bis(4,5,6,7-tetrabromo-1H-isoindole-1,3(2H)-dione)

Catalog ID
STK296339
SMILES O=C(c1cccc(c1)N1C(=O)c2c(C1=O)c(Br)c(c(c2Br)Br)Br)/C=C/c1ccc(cc1)/C=C/C(=O)c1cccc(c1)N1C(=O)c2c(C1=O)c(Br)c(c(c2Br)Br)Br

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C40H16Br8N2O6 MW 1259.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H16Br8N2O6/c41-29-25-26(30(42)34(46)33(29)45)38(54)49(37(25)53)21-5-1-3-19(15-21)23(51)13-11-17-7-9-18(10-8-17)12-14-24(52)20-4-2-6-22(16-20)50-39(55)27-28(40(50)56)32(44)36(48)35(47)31(27)43/h1-16H/b13-11+,14-12+
InChIKey
DQPFIDBOPQNKNH-PHEQNACWSA-N
Synonyms

22(benzene14diylbis(((1E)3oxoprop1ene13diyl)benzene31diyl))bis(4567tetrabromo1Hisoindole13(2H)dione)
4567tetrabromo2(3((E)3(4((E)3oxo3(3(4567tetrabromo13dioxoisoindol2yl)phenyl)prop1enyl)phenyl)prop2enoyl)phenyl)isoindole13dione
C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br)C(=O)C=CC4=CC=C(C=C4)C=CC(=O)C5=CC(=CC=C5)N6C(=O)C7=C(C6=O)C(=C(C(=C7Br)Br)Br)Br
InChI=1SC40H16Br8N2O6c41292526(30(42)34(46)33(29)45)38(54)49(37(25)53)2151319(1521)23(51)1311177918(10817)121424(52)2042622(1620)5039(55)2728(40(50)56)32(44)36(48)35(47)31(27)43h116Hb1311+1412+
MFCD00303844
O=C(c1cccc(c1)N1C(=O)c2c(C1=O)c(Br)c(c(c2Br)Br)Br)C=Cc1ccc(cc1)C=CC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)c(Br)c(c(c2Br)Br)Br

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Available files

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